SCHEMBL4896587

SCHEMBL4896587

CN(c1ccccn1)c1cccc(-c2cccc(Br)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR7 P34969 1/20 0.36
CYP1A2 P05177 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4902597 0.87 KDM4E (0.59) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
SCHEMBL4904986 0.81 CYP2D6 (0.50) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
SCHEMBL29946428 0.77 KDM4E (0.71) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
SCHEMBL353379 0.77 KDM4E (0.71) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
SCHEMBL30485904 0.77 KDM4E (0.71) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
SCHEMBL21594682 0.77 HTR7 (0.43) KDM4EHTR7MAPTHTR2A
SCHEMBL31579202 0.77 HTR7 (0.43) KDM4EHTR7MAPTHTR2A
SCHEMBL231127 0.77 CYP2D6 (0.57) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
SCHEMBL994004 0.76 KDM4E (0.75) KDM4EL3MBTL1LMNASMN1; SMN2CCR1
Hydrochloric Acid SCHEMBL6775520 0.75 CYP2D6 (0.55) KDM4EL3MBTL1LMNASMN1; SMN2CCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 KDM4E 542/4885L3MBTL1 3704/4885LMNA 3338/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.